5-(furan-2-ylmethyl)-1H-pyrazole

C8H8N2O — CID 150420394

IUPAC5-(furan-2-ylmethyl)-1H-pyrazole
SMILESc1coc(Cc2ccn[nH]2)c1
InChIInChI=1S/C8H8N2O/c1-2-8(11-5-1)6-7-3-4-9-10-7/h1-5H,6H2,(H,9,10)
InChIKeyHHQQFDCLGDZGRQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.59
Rot. Bonds2

About 5-(furan-2-ylmethyl)-1H-pyrazole

5-(furan-2-ylmethyl)-1H-pyrazole (PubChem CID 150420394) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-1H-pyrazole
PubChem CID150420394
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-(furan-2-ylmethyl)-1H-pyrazole
SMILESc1coc(Cc2ccn[nH]2)c1
InChIInChI=1S/C8H8N2O/c1-2-8(11-5-1)6-7-3-4-9-10-7/h1-5H,6H2,(H,9,10)
InChIKeyHHQQFDCLGDZGRQ-UHFFFAOYSA-N
XLogP1.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
N'-(2-Furylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6869066
3-(2-furyl)-4H-pyrazol-4-one N-phenylhydrazone
CID 3803348
3-(furan-2-yl)-1H-pyrazole
CID 818920
3-(5-methylfuran-2-yl)-1H-pyrazole-4-carbaldehyde
CID 9267898
5-(5-methylfuran-2-yl)-1H-pyrazole
CID 39734333
[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
CID 144010388
5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
CID 2742187
5-(furan-2-yl)-1H-pyrazole-3-carbonitrile
CID 39235535
3-(3-Furyl)pyrazole
CID 53671153

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-1H-pyrazole?
The IUPAC name of 5-(furan-2-ylmethyl)-1H-pyrazole (CID 150420394) is 5-(furan-2-ylmethyl)-1H-pyrazole.
What is the SMILES notation for 5-(furan-2-ylmethyl)-1H-pyrazole?
The canonical SMILES for 5-(furan-2-ylmethyl)-1H-pyrazole is c1coc(Cc2ccn[nH]2)c1.
What is the InChIKey of 5-(furan-2-ylmethyl)-1H-pyrazole?
The InChIKey is HHQQFDCLGDZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-8(11-5-1)6-7-3-4-9-10-7/h1-5H,6H2,(H,9,10).
What are the key properties of 5-(furan-2-ylmethyl)-1H-pyrazole?
5-(furan-2-ylmethyl)-1H-pyrazole has a molecular weight of 148.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-1H-pyrazole is sourced from PubChem (CID 150420394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).